Ligand name: (isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
PDB ligand accession: OIK
DrugBank: n/a
PubChem: 156907025
ChEMBL: n/a
InChI Key: UIQBSVLMOPGDAQ-UHFFFAOYSA-N
SMILES: c1ccc(cc1)N2CCN(CC2)C(=O)c3cncc4c3cccc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P0DTD1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7GFS	Download	Experimental	e7gfsA1 e7gfsA2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot